UCSF

ZINC36256103

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 5.81 -13.95 1 7 0 65 436.641 10
Mid Mid (pH 6-8) 2.71 8.08 -51.48 2 7 1 66 437.649 10
Lo Low (pH 4.5-6) 2.71 10.13 -102.19 3 7 2 68 438.657 10

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )